(E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one

Systemtic Name: (E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one Openeye Name: (E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one CAS Name: (E)-4-methyl-1-(3-nitrophenyl)-1-penten-3-one IUPAC Name: (E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one Traditional Name: (E)-4-methyl-1-(3-nitrophenyl)pent-1-en-3-one Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-9(2)12(14)7-6-10-4-3-5-11(8-10)13(15)16/h3-9H,1-2H3/b7-6+